2,4-bis[4-(diethylamino)phenyl]cyclohexa-1,3-diene-1,3-disulfonic acid

Systemtic Name: 2,4-bis[4-(diethylamino)phenyl]cyclohexa-1,3-diene-1,3-disulfonic acid Openeye Name: 2,4-bis[4-(diethylamino)phenyl]cyclohexa-1,3-diene-1,3-disulfonic acid CAS Name: 2,4-bis[4-(diethylamino)phenyl]cyclohexa-1,3-diene-1,3-disulfonic acid IUPAC Name: 2,4-bis[4-(diethylamino)phenyl]cyclohexa-1,3-diene-1,3-disulfonic acid Traditional Name: 2,4-bis[4-(diethylamino)phenyl]cyclohexa-1,3-diene-1,3-disulfonic acid Formula: C26H34N2O6S2 MolecularWeight: 534.68796

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C2=C(C(=C(CC2)S(=O)(=O)O)C3=CC=C(C=C3)N(CC)CC)S(=O)(=O)O

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C2=C(C(=C(CC2)S(=O)(=O)O)C3=CC=C(C=C3)N(CC)CC)S(=O)(=O)O

InChI

InChI=1S/C26H34N2O6S2/c1-5-27(6-2)21-13-9-19(10-14-21)23-17-18-24(35(29,30)31)25(26(23)36(32,33)34)20-11-15-22(16-12-20)28(7-3)8-4/h9-16H,5-8,17-18H2,1-4H3,(H,29,30,31)(H,32,33,34)